UCSF

ZINC35206247

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 8.34 -33.08 2 4 1 42 251.398 6
Hi High (pH 8-9.5) 2.65 6.44 -5.8 1 4 0 41 250.39 6
Lo Low (pH 4.5-6) 2.65 8.69 -84.34 3 4 2 43 252.406 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )